3-Bromo-5-(trifluoromethyl)benzonitrile - CAS 691877-03-9

Catalog:	BB033719
Product Name:	3-Bromo-5-(trifluoromethyl)benzonitrile
CAS:	691877-03-9
Synonyms:	3-bromo-5-(trifluoromethyl)benzonitrile; 3-bromo-5-(trifluoromethyl)benzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-(trifluoromethyl)benzonitrile
Description:	3-Bromo-5-(trifluoromethyl)benzonitrile (CAS# 691877-03-9) is a useful research chemical.
Molecular Weight:	250.02
Molecular Formula:	C8H3BrF3N
Canonical SMILES:	C1=C(C=C(C=C1C(F)(F)F)Br)C#N
InChI:	InChI=1S/C8H3BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key:	KZFVJLGAVFCPAZ-UHFFFAOYSA-N
Boiling Point:	216.039 °C at 760 mmHg
Density:	1.719 g/cm³
MDL:	MFCD09800708
LogP:	3.33958

Publication Number	Title	Priority Date
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2021032323-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
CN-110799625-A	Organic molecules, in particular for optoelectronic devices	20170627
DE-102017114250-B3	Organic molecules, in particular for use in optoelectronic devices	20170627
EP-3642302-A1	Organic molecules, in particular for use in optoelectronic devices	20170627

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94010
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94010
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2